Structure Data of Free Polyatomic Molecules
952
ED
[29H,31H-Phthalocyaninato-κN29,κN30,κN31,κN32]tin
Phthalocyaninatotin(II)
C32H16N8Sn
ra
C(5)–N(29)
C(4a)–C(5)
C(4a)–C(28a)
X…N(29) b)
h c)
Sn–N(29)
C–C e)
C–H(average)
Å a)
1.409(31)
1.438(47)
1.53(10)
1.979(29)
1.01(10)
2.201 d)
1.392(10)
1.099(46)
θa
C(5)–N(29)–C(28)
N(29)–C(5)–N(6)
C(28a)–C(4a)–C(4)
C(4a)–C(4)–H
N(29)–C(5)–C(4a)
C(5)–C(4a)–C(28a)
C(4a)–C(4)–C(3)
C(5)–N(6)–C(7)
t f)
deg a)
110.5(30)
125.5(28)
118.2(21)
120.1(78)
107.1 d)
106.1 d)
121.9 d)
124.6 d)
3.9(52)
The Sn atom lies above the phthalocyanine moiety which
is also slightly nonplanar, being bent downwards.
The temperature of the measurements was 420 °C.
a
) Twice the estimated standard errors.
) Distance from the center of planar
phthalocyanine skeleton X to N(29) atom.
c
) Distance from Sn atom to the center of
planar phthalocyanine skeleton.
d
) Dependent parameter.
e
) Average value of C(4a)–C(4), C(3)–C(4)
and C(2)–C(3) bond lengths.
f
) Angle of rotation of the isoindole units around
the C(5)–N(6) and C(28)–N(27) bonds, leaving
these atoms in the original plane.
b
Ruan, C.-Y., Mastryukov, V., Fink, M.: J. Chem. Phys. 111 (1999) 3035.
Landolt-Börnstein
New Series II/28D
N
N
N
N
Sn
N
C4v
N
N
N